4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c27-20(12-18-15-7-1-2-8-16(15)21(28)25-24-18)26-11-5-6-14(13-26)22-23-17-9-3-4-10-19(17)29-22/h1-4,7-10,14H,5-6,11-13H2,(H,25,28)/t14-/m1/s1